Crystallography Open Database

Information card for entry 4105815

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Coordinates	4105815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cu4 I2 N18 S4 W
Calculated formula	C36 H24 Cu4 I2 N18 S4 W
Title of publication	Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules
Authors of publication	Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4172 - 4174
a	26.589 ± 0.007 Å
b	31.767 ± 0.008 Å
c	13.739 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11605 ± 5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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